Introduction to Molecular Simulations
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Course Description
Algorithms of molecular simulations and underlying theories. Molecular dynamics, time integrators, modeling thermodynamic ensembles (NPT, NVT). Monte Carlo simulations. Applications in solids, liquids, polymers, phase transitions, and combination with machine learning tools. Examples provided in easy-to-use Python Notebooks. Final projects.
Grading Basis
ROP - Letter or Credit/No Credit
Min
3
Max
3
Course Repeatable for Degree Credit?
No
Course Component
Discussion
Enrollment Optional?
No
Course Component
Lecture
Enrollment Optional?
No
Does this course satisfy the University Language Requirement?
No
Programs
ME346B
is a
completion requirement
for: